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Substance Name: Mercaptobenzothiazole
RN: 149-30-4
UNII: 5RLR54Z22K
InChIKey: YXIWHUQXZSMYRE-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Anti-Infective Agents
  • Antifungal Agents
  • Drug / Therapeutic Agent
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C7-H5-N-S2

Molecular Weight

  • 167.2555
 

Names and Synonyms

Name of Substance

  • 2-Mercaptobenzothiazole
  • Captax
  • Mercaptobenzothiazole

Synonyms

  • 2(3H)-Benzothiazolethione
  • 2-Benzothiazolethiol
  • 2-Benzothiazolinethione
  • 2-Benzothiazolyl mercaptan
  • 2-MBT
  • 2-Mercaptobenzothiazole
  • 2-Mercaptobenzthiazole
  • 2-Mercptobenzothiazole
  • 2-Merkaptobenzotiazol
  • 2-Merkaptobenzotiazol [Polish]
  • 2-Merkaptobenzthiazol
  • 2-Merkaptobenzthiazol [Czech]
  • Accel M
  • Accelerator M
  • AG 63
  • AI3-00985
  • Benzothiazole, mercapto-
  • Benzothiazole-2-thione
  • Benzothiazolethiol
  • Captax
  • Caswell No. 541
  • CCRIS 891
  • Dermacid
  • EC 205-736-8
  • EINECS 205-736-8
  • Ekagom G
  • EPA Pesticide Chemical Code 051701
  • HSDB 4025
  • Kaptaks
  • Kaptax
  • Kaptax [Czech]
  • MBT
  • Mebetizole
  • Mebithizol
  • Mercaptobenzothiazol
  • Mercaptobenzothiazole
  • Mercaptobenzothiazole (VAN)
  • Mercaptobenzthiazole
  • Mertax
  • NCI-C56519
  • NSC 2041
  • Nuodeb 84
  • Nuodex 84
  • Pennac MBT powder
  • Pneumax MBT
  • Rokon
  • Rotax
  • Royal MBT
  • Soxinol M
  • Sulfadene
  • Thiotax
  • UNII-5RLR54Z22K
  • USAF GY-3
  • USAF XR-29
  • Vulkacit M
  • Vulkacit mercapto
  • Vulkacit mercapto/C

Systematic Names

  • 2(3H)-Benzothiazolethione
  • 2-Mercaptobenzothiazole
  • Benzothiazole-2-thiol

Superlist Names

  • 2(3H)-Benzothiazolethione
  • 2-Mercaptobenzothiazole
  • 2-Mercaptobenzothiazole (in liquid mixtures)
  • MBT

Registry Numbers

CAS Registry Number

  • 149-30-4

FDA UNII

  • 5RLR54Z22K

Other Registry Numbers

  • 112242-83-8
  • 119170-41-1
  • 12640-90-3
  • 1321-08-0
  • 4464-58-8
  • 55199-93-4
  • 81605-65-4

Related Registry Numbers

  • 155-04-4 (zinc salt)
  • 2492-26-4 (hydrochloride salt)
  • 26622-66-2 (mercury (+2) salt)
  • 29904-98-1 (cobalt(+2) salt)
  • 32510-27-3 (unspecified copper salt)
  • 4162-43-0 (copper(+2) salt)
  • 7778-70-3 (potassium salt)

System Generated Number

  • 0000149304

Structure Descriptors

InChI

1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

InChIKey

YXIWHUQXZSMYRE-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(s2)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 1158mg/kg (1158mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
quail LD50 oral > 2150mg/kg (2150mg/kg)   National Technical Information Service. Vol. OTS0535428,
rabbit LD50 skin > 7940mg/kg (7940mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 62, 1990.
rat LC50 inhalation > 1270mg/m3 (1270mg/m3)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1190-0987S,
rat LD50 intraperitoneal 300mg/kg (300mg/kg)   Medycyna Pracy. Industrial Medicine. Vol. 16, Pg. 35, 1965.
rat LD50 oral 100mg/kg (100mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 181 deg C   EXP
pKa Dissociation Constant 6.93 (none) 20 EXP
log P (octanol-water) 2.42 (none)   EXP
Water Solubility 120 mg/L 24 EXP
Vapor Pressure 4.64E-04 mm Hg 25 EST
Henry's Law Constant 3.63E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.06E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.